medchem-models.ekmd.huji.ac.il
MolMod - Cooperations
http://medchem-models.ekmd.huji.ac.il/cooperations.html
Molecular Modeling and Drug Design Group. Prof Dr. Martin Ruthardt. Head, Laboratory for Tumor Stem Cell Biology Medical Clinic II, Goethe University, Frankfurt/Main Germany. Designing inhibitors for the myristoyl binding pocket of Abl Other participants: Dr. Yousef Najajreh (Al-Quds University, Palestinian Authority), and Dr.Jamal Mahajneh (Migal Institue, Koryat Shmona, Israel). Subjects: Inhibition of RET-kinase, HDAC and HSP90, differential cytotoxicity List of participants. Angiokem EU COST action.
medchem-models.ekmd.huji.ac.il
MolMod - Papers
http://medchem-models.ekmd.huji.ac.il/papers.html
Molecular Modeling and Drug Design Group. Glick, M. and Goldblum, A. A novel energy-based stochastic method for positioning polar protons in protein structures from X-rays. Proteins-Structure Function and Genetics 38, 273-287 (2000). Goldblum, A. and Glick, M. Novel stochastic algorithm for structure predictions in proteins and for biomolecular interactions. Abstracts of Papers of the American Chemical Society 220, U286-U287 (2000). Glick, M., Rayan, A. and Goldblum, A. A stochastic algorithm...Goldblum,...
medchem-models.ekmd.huji.ac.il
MolMod - Molecular Modeling and Drug Design Group
http://medchem-models.ekmd.huji.ac.il/index.html
Molecular Modeling and Drug Design Group. Laboratory of molecular modeling and drug design develops algorithms and computer techniques and employs them, as well as other computational methods, for solving problems in structural biology of proteins and associated problems in ligand binding and drug design. ISE was recently devised in our lab, and is now extended by PhD and MSc students to:. Constructing conformational ensembles of large ( 8 amino acids) loops. Docking molecules to their targets. Assigning...
medchem-models.ekmd.huji.ac.il
MolMod - Projects
http://medchem-models.ekmd.huji.ac.il/projects.html
Molecular Modeling and Drug Design Group. The requirements for applying ISE are:. The problem may be presented as a set of variables that may assume, each, a set of values. Variables “interact” with each other (dependence). A reliable scoring function may be constructed to evaluate each (random) choice of variables’ values. Recent and current work on ISE and its applications in my group:. Flexible ligand docking (including side chain flexibility). Distinguishing between folding and non-folding sequences.
medchem-models.ekmd.huji.ac.il
MolMod - The Group
http://medchem-models.ekmd.huji.ac.il/group.html
Molecular Modeling and Drug Design Group. The group of Amiram Goldblum currently consists of 1 research associate, 6 PhD students and 6 MSc students:. Please hover and click on our pictures or scroll down for more information:. Algorithm development of ISE, consultant for ISE developments. Design of new protein functions. A new force field for proteins by ISE (co-advisor, with Avigdor Sherz, Weizmann Inst.). Novel ISE applications in drug design. Inhibition and substrates of P450 isoenzymes.
medchem-models.ekmd.huji.ac.il
MolMod - Courses
http://medchem-models.ekmd.huji.ac.il/courses.html
Molecular Modeling and Drug Design Group. 64621 - Medicinal Chemistry - Drugs and Drug Action - 70 Hours. This course is presented to 3rd year undergraduates in Pharmacy School, and is. Attended regularly by some 140-150 students. Written examination, 2.5 hours. 64751 - Molecular Modeling for Drug Design - 42 hours. Attended by some 40-50 students. Written exam and seminar work required. PC class), during 7 weeks, spring semester 2011. Part II. Basics of QSAR Modeling. C Structural errors and structure c...
